Binding information for 1o1s_ligand_2_36.mol2(FDBF00620)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o1s_ligand_2_36.mol2 | 1o1s | 0.777778 | -5.62 | C(O)C(=C)C | 5 |
Structure and binding mode of 1o1s_ligand_2_36.mol2(FDBF00620)
Important binding residues for 1o1s_ligand_2_36.mol2(FDBF00620)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o1s | ARG202 | -0.63 | -0.38 | -1.01 | 0.46 | -0.55 |
| 1o1s | GLY250 | -0.48 | -0.68 | -1.16 | 0.69 | -0.47 |
| 1o1s | TYR251 | -0.76 | -0.24 | -1 | 0.48 | -0.52 |
| 1o1s | TRP303 | -1.36 | -0.89 | -2.25 | 1.46 | -0.79 |
